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5iwi

1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked DNA

Method: X-RAY DIFFRACTION
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1. Protein Identity and Related Structures Protein Identity & Related Structures

DNA gyrase subunit B,DNA gyrase subunit B

Staphylococcus aureus

UniProt P66937

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein–DNA Heteromer Protein 4 DNA 3 DNA gyrase subunit A × 2 （Q99XG5） ;DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3') ; × 1 ;DNA (5'-D(*TP*GP*TP*GP*CP*GP*GP*T*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3') ; × 1 ;DNA (5'-D(*TP*GP*TP*GP*CP*GP*GP*T*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3') ; × 1 MANGANESE (II) ION × 3 GLYCEROL × 10 CHLORIDE ION × 1 ;(1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one ; × 1 water × 7 Consistent with all polymers

Other States of the Same Protein in the Database

Monomer

None

Homodimer

None

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex
2xco 2xcq 2xcr 2xcr 2xcs 2xct 2xct 4bul 5cdm 5cdn 5cdn 5cdo

38 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name GYRB_STAAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain B； PDBConstruct 2–135； UniProt 410–543 Author chain B； PDBConstruct 138–202； UniProt 580–644 Author chain D； PDBConstruct 2–135； UniProt 410–543 Author chain D； PDBConstruct 138–202； UniProt 580–644

DNA gyrase subunit A

Staphylococcus aureus (strain N315)

UniProt Q99XG5

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein–DNA Heteromer Protein 4 DNA 3 DNA gyrase subunit B,DNA gyrase subunit B × 2 （P66937） ;DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3') ; × 1 ;DNA (5'-D(*TP*GP*TP*GP*CP*GP*GP*T*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3') ; × 1 ;DNA (5'-D(*TP*GP*TP*GP*CP*GP*GP*T*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3') ; × 1 MANGANESE (II) ION × 3 GLYCEROL × 10 CHLORIDE ION × 1 ;(1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one ; × 1 water × 7 Consistent with all polymers

Other States of the Same Protein in the Database

Monomer

None

Homodimer

None

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex
2xco 2xcq 2xcr 2xcr 2xcs 2xct 2xct 4bul 5cdm 5cdn 5cdn 5cdo

41 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name GYRA_STAAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain A； PDBConstruct 1–490； UniProt 2–491 Author chain C； PDBConstruct 1–490； UniProt 2–491

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id5iwi
Deposition date deposition_date2016-03-22
Structure title title1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked DNA
Keywords keywordsTYPE IIA TOPOISOMERASE, ANTIBACTERIAL, INHIBITOR, isomerase, fusion protein; ISOMERASE
Experimental Method methodX-RAY DIFFRACTION
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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

5iwi__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

5iwi__assembly_1__model_1 | I(q)

10-2 10-1 106 107 108 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

5iwi__assembly_1__model_1 | P(r) · Pending

The new assembly/model P(r) has not been calculated yet This placeholder does not display legacy data r (Angstrom) P(r)
P(r) will be calculated and displayed separately for the same assembly/model.
Rg（Guinier）37.02 Å
Rg (electron density)36.77 Å
Total Rg37.18 Å
Atom count11529
Residues1385
Excluded volume202240 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 5iwi__assembly_1__model_1 heptameric （7） Success 4.1.3-1-20251215 (887e7ef) View Download
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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (10)

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6. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id5iwiB01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily670 —
Domain ID domain_id5iwiD01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily670 —
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7. Citations (1)